3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione

C13H11ClN2O3 — CID 177376698

IUPAC3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
SMILESO=C1CCC2(CC(c3ccccc3Cl)=NO2)C(=O)N1
InChIInChI=1S/C13H11ClN2O3/c14-9-4-2-1-3-8(9)10-7-13(19-16-10)6-5-11(17)15-12(13)18/h1-4H,5-7H2,(H,15,17,18)
InChIKeyBUCCPXBJMQOJMQ-UHFFFAOYSA-N
MW278.69 g/mol
LogP1.64
Rot. Bonds1

About 3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione

3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione (PubChem CID 177376698) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
PubChem CID177376698
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
SMILESO=C1CCC2(CC(c3ccccc3Cl)=NO2)C(=O)N1
InChIInChI=1S/C13H11ClN2O3/c14-9-4-2-1-3-8(9)10-7-13(19-16-10)6-5-11(17)15-12(13)18/h1-4H,5-7H2,(H,15,17,18)
InChIKeyBUCCPXBJMQOJMQ-UHFFFAOYSA-N
XLogP1.64
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione (CID 177376698) is 3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione is O=C1CCC2(CC(c3ccccc3Cl)=NO2)C(=O)N1.
What is the InChIKey of 3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione?
The InChIKey is BUCCPXBJMQOJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-9-4-2-1-3-8(9)10-7-13(19-16-10)6-5-11(17)15-12(13)18/h1-4H,5-7H2,(H,15,17,18).
What are the key properties of 3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione?
3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione has a molecular weight of 278.69 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione is sourced from PubChem (CID 177376698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).